Matches in SemOpenAlex for { <https://semopenalex.org/work/W2055197816> ?p ?o ?g. }
- W2055197816 endingPage "1522" @default.
- W2055197816 startingPage "1522" @default.
- W2055197816 abstract "A theoretical study on the PtII complex A based on a dimesitylboron (BMes2)-functionalized [Pt(C^N)(acac)] (C^N = 2-phenyl-pyridyl, acac = acetylaceton) complex, as well as three conjugation-extended analogues of the methylimidazole (C*) ligand BMes2-[Pt(C^C*)(acac)] complexes B–D is performed. Their theoretical geometries, electronic structures, emission properties, and the radiative decay rate constants (kr) were also investigated. The energy differences between the two highest occupied orbitals with dominant Pt d-orbital components (Δddocc) of D both at the ground and excited states are the smallest of all. Compared with B, the charge transfer in D possesses a marked trend towards the extended conjugated group, while C changed inconspicuously. The lowest-lying absorptions and the phosphorescence of them can be described as a mixed metal-to-ligand charge transfer (MLCT)/intra-ligand π→π* charge transfer (ILCT) and 3MLCT/3ILCT, respectively. The variation of charge transfer properties induced by extended conjugation and the radiative decay rate constants (kr) calculated revealed that D is a more efficient blue phosphorescence material with a 497 nm emission transition." @default.
- W2055197816 created "2016-06-24" @default.
- W2055197816 creator A5006893498 @default.
- W2055197816 creator A5021225906 @default.
- W2055197816 creator A5029277359 @default.
- W2055197816 creator A5058366891 @default.
- W2055197816 creator A5070431836 @default.
- W2055197816 date "2014-01-01" @default.
- W2055197816 modified "2023-09-23" @default.
- W2055197816 title "Theoretical Studies on Phosphorescent Materials: The Conjugation-Extended PtII Complexes" @default.
- W2055197816 cites W1966182479 @default.
- W2055197816 cites W1972964515 @default.
- W2055197816 cites W1973284434 @default.
- W2055197816 cites W1973953671 @default.
- W2055197816 cites W1974094715 @default.
- W2055197816 cites W1976866402 @default.
- W2055197816 cites W1988017626 @default.
- W2055197816 cites W1989180035 @default.
- W2055197816 cites W1993252622 @default.
- W2055197816 cites W1995794402 @default.
- W2055197816 cites W2001823292 @default.
- W2055197816 cites W2001993329 @default.
- W2055197816 cites W2006444373 @default.
- W2055197816 cites W2007395042 @default.
- W2055197816 cites W2008423326 @default.
- W2055197816 cites W2008713195 @default.
- W2055197816 cites W2010189574 @default.
- W2055197816 cites W2016768576 @default.
- W2055197816 cites W2021502908 @default.
- W2055197816 cites W2023271753 @default.
- W2055197816 cites W2023300709 @default.
- W2055197816 cites W2024668428 @default.
- W2055197816 cites W2024916177 @default.
- W2055197816 cites W2028889029 @default.
- W2055197816 cites W2030687437 @default.
- W2055197816 cites W2034150875 @default.
- W2055197816 cites W2035895206 @default.
- W2055197816 cites W2036703429 @default.
- W2055197816 cites W2044490585 @default.
- W2055197816 cites W2050470803 @default.
- W2055197816 cites W2052109436 @default.
- W2055197816 cites W2052679454 @default.
- W2055197816 cites W2053155756 @default.
- W2055197816 cites W2056872649 @default.
- W2055197816 cites W2058398316 @default.
- W2055197816 cites W2062852634 @default.
- W2055197816 cites W2063663126 @default.
- W2055197816 cites W2066436748 @default.
- W2055197816 cites W2066877229 @default.
- W2055197816 cites W2069197437 @default.
- W2055197816 cites W2070980340 @default.
- W2055197816 cites W2071311418 @default.
- W2055197816 cites W2071922898 @default.
- W2055197816 cites W2073338561 @default.
- W2055197816 cites W2074725560 @default.
- W2055197816 cites W2075999741 @default.
- W2055197816 cites W2076060557 @default.
- W2055197816 cites W2078456489 @default.
- W2055197816 cites W2087847947 @default.
- W2055197816 cites W2090006202 @default.
- W2055197816 cites W2097858436 @default.
- W2055197816 cites W2125660323 @default.
- W2055197816 cites W2128710607 @default.
- W2055197816 cites W2131580200 @default.
- W2055197816 cites W2144171517 @default.
- W2055197816 cites W2144539450 @default.
- W2055197816 cites W2149741529 @default.
- W2055197816 cites W2150345533 @default.
- W2055197816 cites W2150697053 @default.
- W2055197816 cites W2167838638 @default.
- W2055197816 cites W2172084141 @default.
- W2055197816 cites W2321917802 @default.
- W2055197816 cites W2325134096 @default.
- W2055197816 cites W2328779456 @default.
- W2055197816 doi "https://doi.org/10.1071/ch14032" @default.
- W2055197816 hasPublicationYear "2014" @default.
- W2055197816 type Work @default.
- W2055197816 sameAs 2055197816 @default.
- W2055197816 citedByCount "2" @default.
- W2055197816 countsByYear W20551978162017 @default.
- W2055197816 countsByYear W20551978162021 @default.
- W2055197816 crossrefType "journal-article" @default.
- W2055197816 hasAuthorship W2055197816A5006893498 @default.
- W2055197816 hasAuthorship W2055197816A5021225906 @default.
- W2055197816 hasAuthorship W2055197816A5029277359 @default.
- W2055197816 hasAuthorship W2055197816A5058366891 @default.
- W2055197816 hasAuthorship W2055197816A5070431836 @default.
- W2055197816 hasConcept C116569031 @default.
- W2055197816 hasConcept C121332964 @default.
- W2055197816 hasConcept C147120987 @default.
- W2055197816 hasConcept C147597530 @default.
- W2055197816 hasConcept C147789679 @default.
- W2055197816 hasConcept C148898269 @default.
- W2055197816 hasConcept C170493617 @default.
- W2055197816 hasConcept C181500209 @default.
- W2055197816 hasConcept C181817918 @default.
- W2055197816 hasConcept C184779094 @default.
- W2055197816 hasConcept C185592680 @default.